ASK-Berkeley / BADGER-SBDDView external linksLinks
Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"
☆12Jul 18, 2025Updated 6 months ago
Alternatives and similar repositories for BADGER-SBDD
Users that are interested in BADGER-SBDD are comparing it to the libraries listed below
Sorting:
- ftyuejian / Predicting-CO2-Absorption-in-Ionic-Liquid-with-Molecular-Descriptors-and-Explainable-GNNData and code for Predicting CO2 Absorption in Ionic Liquid with Molecular Descriptors and Explainable Graph Neural☆19Sep 2, 2022Updated 3 years ago
- A code base for the third place solution of Ego-Exo4D bodypose challenge for CVPR2024 workshop☆12Jun 16, 2024Updated last year
- Systematic Multi-Trait AAV Capsid Engineering for Efficient Gene Delivery (Eid et al., Nature Communications, 2024)☆11Aug 26, 2024Updated last year
- ☆14Jan 31, 2026Updated last week
- ☆10Apr 22, 2019Updated 6 years ago
- ☆13Feb 20, 2024Updated last year
- 用于熟悉Xposed模块的练手作品☆10Nov 9, 2024Updated last year
- TAGMol: Target-Aware Gradient-guided Molecule Generation (ICML'24 ML4LMS Workshop)☆12Aug 29, 2024Updated last year
- ☆13Nov 29, 2024Updated last year
- The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."☆10May 28, 2025Updated 8 months ago
- ☆10Sep 4, 2024Updated last year
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆14Mar 14, 2024Updated last year
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆13Dec 17, 2022Updated 3 years ago
- Official code repository for the paper titled "Efficient Molecular Conformer Generation with SO(3) Averaged Flow-Matching and Reflow" (IC…☆13Jan 8, 2026Updated last month
- ☆11Jan 17, 2025Updated last year
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- Coming Soon...☆10Mar 14, 2022Updated 3 years ago
- predicting AlogP with machine or deep learning☆10Feb 28, 2021Updated 4 years ago
- ⛰️ PrexSyn: Efficient and Programmable Exploration of Synthesizable Chemical Space☆34Feb 2, 2026Updated last week
- ☆10Sep 25, 2019Updated 6 years ago
- High-throughput simulation for crystalline interfaces☆17Jan 22, 2026Updated 3 weeks ago
- DualBind is a 3D structure-based deep learning model with a dual-loss framework for accurate and fast protein-ligand binding affinity pre…☆14Oct 21, 2025Updated 3 months ago
- Token-Mol 1.0：tokenized drug design with large language model☆62Dec 9, 2025Updated 2 months ago
- ☆12Jun 11, 2025Updated 8 months ago
- A drop-in replacement for Rosetta Relax☆26Jan 30, 2026Updated 2 weeks ago
- Variational Autoencoder (VAE) PyTorch Tutorial from Scratch☆10Nov 22, 2023Updated 2 years ago
- Repo for the paper "Exploiting redundancy in large materials datasets for efficient machine learning with less data"☆11Sep 23, 2024Updated last year
- Counterfactual Inference by Machine Learning and Attribution Models☆14Aug 24, 2023Updated 2 years ago
- ☆17Dec 5, 2024Updated last year
- ☆12Apr 14, 2022Updated 3 years ago
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 3 years ago
- repository for Group-contribution based Graph neural Networks☆19Jul 29, 2025Updated 6 months ago
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆49Sep 14, 2023Updated 2 years ago
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆53Jun 20, 2024Updated last year
- The source code of PGD-VAE☆12Dec 8, 2022Updated 3 years ago
- Code for "Kuramoto Orientation Diffusion"☆26Nov 7, 2025Updated 3 months ago
- Code for "IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep L…☆11Apr 1, 2023Updated 2 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- ☆15Jan 21, 2025Updated last year